SCHEMBL8145669

SCHEMBL8145669

CCCC(C)c1cccc(CCC=O)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.34
ALDH1A1 P00352 2/20 0.34
DAO P14920 1/20 0.33
PTGIR P43119 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 1/20 0.33
NR3C1 P04150 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
POLB P06746 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27356690 0.84 F2 (0.32) HDAC4HDAC2HDAC8CYP1A2CYP2C19
SCHEMBL4227993 0.82 TYR (0.41) HDAC4HDAC2HDAC8CYP3A4ALDH1A1
SCHEMBL31634534 0.82 TYR (0.41) HDAC4HDAC2HDAC8CYP3A4ALDH1A1
SCHEMBL7634268 0.79 PTGS2 (0.41) HDAC4HDAC2HDAC8CYP1A2CYP3A4
SCHEMBL3871145 0.78 KAT6A (0.37) HDAC4HDAC2HDAC8CYP1A2CYP2C19
SCHEMBL13959419 0.77 HTR6 (0.43) CYSLTR2CYSLTR1
SCHEMBL8802769 0.77 CHRM2 (0.35) HDAC4HDAC8DAO
SCHEMBL97214 0.77 CNR1 (0.38) ALDH1A1
SCHEMBL27494967 0.76 HDAC4 (0.44) HDAC4HDAC2HDAC8SMN1; SMN2
SCHEMBL19445314 0.76 HDAC4 (0.40) HDAC4HDAC2HDAC8TSHRPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000001422-A1 FRAGRANCE DISPERSION UNIVERSITY OF SOUTHAMPTON (GB) 2000-01-13 WO claimed